(phenylmethyl) 1-(2-chloroethyl)-2,7-bis(oxidanylidene)-1,3-diazepane-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-chloroethyl)-2,7-bis(oxidanylidene)-1,3-diazepane-4-carboxylate Openeye Name: benzyl 1-(2-chloroethyl)-2,7-dioxo-1,3-diazepane-4-carboxylate CAS Name: 1-(2-chloroethyl)-2,7-dioxo-1,3-diazepane-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-chloroethyl)-2,7-dioxo-1,3-diazepane-4-carboxylate Traditional Name: 1-(2-chloroethyl)-2,7-diketo-1,3-diazepane-4-carboxylic acid benzyl ester Formula: C15H17ClN2O4 MolecularWeight: 324.75948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(=O)NC1C(=O)OCC2=CC=CC=C2)CCCl

Isomeric SMILES

C1CC(=O)N(C(=O)NC1C(=O)OCC2=CC=CC=C2)CCCl

InChI

InChI=1S/C15H17ClN2O4/c16-8-9-18-13(19)7-6-12(17-15(18)21)14(20)22-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,21)